Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSVLDLFDLHGKRALITGASTGIGKRVALAYVEAGAQVAIAARHLDALEKLADEIGTSGGKVVPVCCDVSQHQQVTSMLDQVTAELGGIDIAVCNAGIITVTPMLDMPLEEFQRLQNTNVTGVFLTAQAAAKAMVKQGQGGVIINTASMSGHIINVPQQVSHYCASKAAVIHLTKAMAVELAPHKIRVNSVSPGYILTELVEPYTEYQPL--W-EPKIPLGRLGRPEELAGLYLYLASEASSYMTGSDIVIDGGYTCP
4G81 Chain:D ((4-251))
-----LFDLTGKTALVTGSARGLGFAYAEGLAAAGARVILNDIRATLLAESVDTLTRKGYDAHGVAFDVTDELAIEAAFSKLDAEGIHVDILINNAGIQYRKPMVELELENWQKVIDTNLTSAFLVSRSAAKRMIARNSGGKIINIGSLTSQA--ARPTVAPYTAAKGGIKMLTCSMAAEWAQFNIQTNAIGPGYILTDMNTALIEDKQFDSWVKSSTPSQRWGRPEELIGTAIFLSSKASDYINGQIIYVDGGW---
General information:
TITO was launched using:
RESULT:
Template:
4G81.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -166413 for 2081 contacts (-80.0/contact) +
2D Compatibility (PS) -26811 + (NN) -12911 + (LL) 564
1D Compatibility (HY) -14400 + (ID) 4500
Total energy: -224471.0 ( -107.87 by residue)
QMean score : 0.576
(partial model without unconserved sides chains):
PDB file :
Tito_4G81.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4G81-query.scw
PDB file :
Tito_Scwrl_4G81.pdb
: